Sugi Predict

Sugi Predict / Compounds / SCHEMBL3586302

SCHEMBL3586302

SCHEMBL3586302

CC(C)(C)c1ccc(N)c(SC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ GAA P10253 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KIF11 P52732 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ LMNA P02545 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HTT P42858 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4180498 0.81 ALDH1A1 (0.35) ALDH1A1MAPTTDP1KDM4EPDE2A
SCHEMBL4602925 0.79 KDM4E (0.33) ALDH1A1MAPTTDP1KDM4EPDE2A
SCHEMBL4187761 0.79 SMN1; SMN2 (0.41) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL11896567 0.79 ALDH1A1 (0.53) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL13516100 0.77 KDM4E (0.32) ALDH1A1MAPTTDP1KDM4EPDE2A
SCHEMBL13516115 0.77 KDM4E (0.32) ALDH1A1MAPTTDP1KDM4EPDE2A
SCHEMBL13875590 0.77 NPC1 (0.53) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL18087642 0.75 AKR1C3 (0.38) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL6116505 0.73 TRPV1 (0.33) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL3584281 0.73 ALDH1A1 (0.42) ALDH1A1MAPTGAAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 — — WO disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 ALDH1A1 952/4885MAPT 4614/4885GAA 3937/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 ALDH1A1 971/4885MAPT 4292/4885GAA 4433/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.